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Information card for entry 4110302
Preview
| Coordinates | 4110302.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H20 Co2 N8 O8 |
|---|---|
| Calculated formula | C22 H20 Co2 N8 O8 |
| SMILES | c12[n]3[Co]45([O](c1cccc2ccc3)CC(=O)O4)([OH2])[N](=N#N)[Co]12([n]3c4c(ccc3)cccc4[O]1CC(=O)O2)([N]5=N#N)[OH2] |
| Title of publication | Single Crystal-to-Single Crystal Transformation from Ferromagnetic Discrete Molecules to a Spin-Canting Antiferromagnetic Layer |
| Authors of publication | Xiao-Ning Cheng; Wei-Xiong Zhang; Xiao-Ming Chen |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 15738 - 15739 |
| a | 8.004 ± 0.0006 Å |
| b | 17.2811 ± 0.0014 Å |
| c | 9.5685 ± 0.0008 Å |
| α | 90° |
| β | 111.599 ± 0.001° |
| γ | 90° |
| Cell volume | 1230.56 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0463 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178874 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/03. |
4110302.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110302.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110302.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110302.cif |
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Users of the data should acknowledge the original authors of the
structural data.